Home Carboxys Methyl 4-iodo-1-(4-methoxybenzyl)-1h-pyrazole-3-carboxylate

Methyl 4-iodo-1-(4-methoxybenzyl)-1h-pyrazole-3-carboxylate

CAS No.:
1260656-58-3
Catalog Number:
AG000QZ4
Molecular Formula:
C13H13IN2O3
Molecular Weight:
372.1584
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$177
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Product Description
Catalog Number:
AG000QZ4
Chemical Name:
Methyl 4-iodo-1-(4-methoxybenzyl)-1h-pyrazole-3-carboxylate
CAS Number:
1260656-58-3
Molecular Formula:
C13H13IN2O3
Molecular Weight:
372.1584
MDL Number:
MFCD15071116
IUPAC Name:
methyl 4-iodo-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
InChI:
InChI=1S/C13H13IN2O3/c1-18-10-5-3-9(4-6-10)7-16-8-11(14)12(15-16)13(17)19-2/h3-6,8H,7H2,1-2H3
InChI Key:
MOCHUYKRYHHGSX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1nc(c(c1)I)C(=O)OC
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.997g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.162g/mol
Monoisotopic Mass:
371.997g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties